1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]indole-6-carbonitrile

C14H12N4O — CID 107917152

IUPAC1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]indole-6-carbonitrile
SMILESCCc1nnc(Cn2ccc3ccc(C#N)cc32)o1
InChIInChI=1S/C14H12N4O/c1-2-13-16-17-14(19-13)9-18-6-5-11-4-3-10(8-15)7-12(11)18/h3-7H,2,9H2,1H3
InChIKeyHHWYIMQYSWKUCX-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.51
Rot. Bonds3

About 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]indole-6-carbonitrile

1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]indole-6-carbonitrile (PubChem CID 107917152) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]indole-6-carbonitrile.

Molecular Properties

Compound Name1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]indole-6-carbonitrile
PubChem CID107917152
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]indole-6-carbonitrile
SMILESCCc1nnc(Cn2ccc3ccc(C#N)cc32)o1
InChIInChI=1S/C14H12N4O/c1-2-13-16-17-14(19-13)9-18-6-5-11-4-3-10(8-15)7-12(11)18/h3-7H,2,9H2,1H3
InChIKeyHHWYIMQYSWKUCX-UHFFFAOYSA-N
XLogP2.51
TPSA67.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-5-[(6-methylindol-1-yl)methyl]-1,3,4-oxadiazole
CID 116546884
1-[(1-methylpyrazol-3-yl)methyl]indole-6-carbonitrile
CID 107917098
ethanol;1-ethylindole-6-carbonitrile
CID 143239367
1-(pyridin-4-ylmethyl)indole-6-carbonitrile
CID 107916985
1-[(2-methyl-1,3-thiazol-5-yl)methyl]indole-6-carbonitrile
CID 114015637
1-(2-ethylbutyl)indole-6-carbonitrile
CID 114015638
1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]indole-6-carbonitrile
CID 107917124
cobalt;1-ethylindole-6-carbonitrile
CID 58657427
1-(naphthalen-2-ylmethyl)indole-6-carbonitrile
CID 91690044
1-(1H-imidazol-5-ylmethyl)indole-6-carbonitrile
CID 162351393
1-(2-propylsulfonylethyl)indole-6-carbonitrile
CID 107917116
1-(2-propan-2-yloxyethyl)indole-6-carbonitrile
CID 107917142

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]indole-6-carbonitrile?
The IUPAC name of 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]indole-6-carbonitrile (CID 107917152) is 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]indole-6-carbonitrile.
What is the SMILES notation for 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]indole-6-carbonitrile?
The canonical SMILES for 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]indole-6-carbonitrile is CCc1nnc(Cn2ccc3ccc(C#N)cc32)o1.
What is the InChIKey of 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]indole-6-carbonitrile?
The InChIKey is HHWYIMQYSWKUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-2-13-16-17-14(19-13)9-18-6-5-11-4-3-10(8-15)7-12(11)18/h3-7H,2,9H2,1H3.
What are the key properties of 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]indole-6-carbonitrile?
1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]indole-6-carbonitrile has a molecular weight of 252.28 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]indole-6-carbonitrile is sourced from PubChem (CID 107917152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).